Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.51 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PRNP | P04156 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4960361 | 0.96 | P2RY12 (0.48) | P2RY12CYP4A11ALDH1A1KDM4EHPGD | |
| SCHEMBL2588413 | 0.87 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10ADORA3 | |
| SCHEMBL4962920 | 0.85 | P2RY12 (0.48) | P2RY12ALDH1A1KDM4EHPGDADORA3 | |
| SCHEMBL2584036 | 0.83 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDHSD17B10ADORA3 | |
| SCHEMBL984175 | 0.83 | ALDH1A1 (0.43) | CYP4A11ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL4265804 | 0.81 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDHSD17B10ADORA3 | |
| SCHEMBL983739 | 0.77 | P2RY12 (0.54) | P2RY12ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL985111 | 0.76 | LMNA (0.54) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL2926820 | 0.76 | P2RY12 (0.50) | P2RY12ALDH1A1KDM4EHPGDADORA3 | |
| SCHEMBL27846650 | 0.76 | ADORA1 (0.44) | P2RY12ALDH1A1KDM4EHPGDHSD17B10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893634-A2 | PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006114774-A2 | PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-11-02 | — | — | WO | disclosed |